(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide

C8H5N4O- — CID 135072928

IUPAC(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide
SMILES[N-]=Nc1c[nH]c2cnccc2c1=O
InChIInChI=1S/C8H5N4O/c9-12-7-4-11-6-3-10-2-1-5(6)8(7)13/h1-4H,(H,11,13)/q-1
InChIKeyPNJIHZFSASPEGK-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.58
Rot. Bonds1

About (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide

(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide (PubChem CID 135072928) has the molecular formula C8H5N4O- and a molecular weight of 173.16 g/mol. Its IUPAC name is (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide.

Molecular Properties

Compound Name(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide
PubChem CID135072928
Molecular FormulaC8H5N4O-
Molecular Weight173.16 g/mol
Exact Mass173.05
IUPAC Name(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide
SMILES[N-]=Nc1c[nH]c2cnccc2c1=O
InChIInChI=1S/C8H5N4O/c9-12-7-4-11-6-3-10-2-1-5(6)8(7)13/h1-4H,(H,11,13)/q-1
InChIKeyPNJIHZFSASPEGK-UHFFFAOYSA-N
XLogP1.58
TPSA80.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

CID 155716847
CID 155716847
1H-1,7-naphthyridin-4-one
CID 589687
1H-pyrrolo[2,3-c]pyridine-3-sulfonyl chloride
CID 83821681
1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
CID 52982877
3-(cyclobuten-1-yl)-1H-pyrrolo[2,3-c]pyridine
CID 87152365
4-bromo-2H-2,6-naphthyridin-1-one
CID 118436923
3-(2-methylpyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 167912336
4-propan-2-yl-2H-2,6-naphthyridin-1-one
CID 159787624
1,3-dihydroimidazo[4,5-c]pyridin-2-one
CID 11686916
N-(2-ethylphenyl)-N-methyl-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetamide
CID 167882468
(5Z)-4-hydroxy-3-methyl-5-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 167169074
4-bromo-1H-1,7-naphthyridin-2-one
CID 66631901

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide?
The IUPAC name of (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide (CID 135072928) is (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide.
What is the SMILES notation for (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide?
The canonical SMILES for (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide is [N-]=Nc1c[nH]c2cnccc2c1=O.
What is the InChIKey of (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide?
The InChIKey is PNJIHZFSASPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N4O/c9-12-7-4-11-6-3-10-2-1-5(6)8(7)13/h1-4H,(H,11,13)/q-1.
What are the key properties of (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide?
(4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide has a molecular weight of 173.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1H-1,7-naphthyridin-3-yl)iminoazanide is sourced from PubChem (CID 135072928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).